(2Z)-5-methyl-2-[(1-methyl-1H-pyrazol-4-yl)methylidene]-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one
Chemical Structure Depiction of
(2Z)-5-methyl-2-[(1-methyl-1H-pyrazol-4-yl)methylidene]-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one
(2Z)-5-methyl-2-[(1-methyl-1H-pyrazol-4-yl)methylidene]-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one
Compound characteristics
| Compound ID: | Y502-4668 |
| Compound Name: | (2Z)-5-methyl-2-[(1-methyl-1H-pyrazol-4-yl)methylidene]-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one |
| Molecular Weight: | 352.41 |
| Molecular Formula: | C18 H16 N4 O2 S |
| Smiles: | CC12CC(c3ccccc3O2)N2C(=N1)SC(=C/c1cnn(C)c1)\C2=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2032 |
| logD: | 2.2027 |
| logSw: | -2.6147 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.604 |
| InChI Key: | TWLDDYRKNOLICQ-UHFFFAOYSA-N |